ChemSpider 2D Image | (1R,5S,6R,7R)-6-[(2Z)-7-Hydroxy-2-hepten-1-yl]-7-[(1E)-3-hydroxy-1-octen-1-yl]-2,4-dioxabicyclo[3.2.1]octan-3-one | C21H34O5

(1R,5S,6R,7R)-6-[(2Z)-7-Hydroxy-2-hepten-1-yl]-7-[(1E)-3-hydroxy-1-octen-1-yl]-2,4-dioxabicyclo[3.2.1]octan-3-one

  • Molecular FormulaC21H34O5
  • Average mass366.492 Da
  • Monoisotopic mass366.240631 Da
  • ChemSpider ID23157898

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,5S,6R,7R)-6-[(2Z)-7-Hydroxy-2-hepten-1-yl]-7-[(1E)-3-hydroxy-1-octen-1-yl]-2,4-dioxabicyclo[3.2.1]octan-3-on [German] [ACD/IUPAC Name]
(1R,5S,6R,7R)-6-[(2Z)-7-Hydroxy-2-hepten-1-yl]-7-[(1E)-3-hydroxy-1-octen-1-yl]-2,4-dioxabicyclo[3.2.1]octan-3-one [ACD/IUPAC Name]
(1R,5S,6R,7R)-6-[(2Z)-7-Hydroxy-2-heptén-1-yl]-7-[(1E)-3-hydroxy-1-octén-1-yl]-2,4-dioxabicyclo[3.2.1]octan-3-one [French] [ACD/IUPAC Name]
(1R,5S,6R,7R)-6-[(2Z)-7-hydroxyhept-2-en-1-yl]-7-[(1E)-3-hydroxyoct-1-en-1-yl]-2,4-dioxabicyclo[3.2.1]octan-3-one
2,4-Dioxabicyclo[3.2.1]octan-3-one, 6-[(2Z)-7-hydroxy-2-hepten-1-yl]-7-[(1E)-3-hydroxy-1-octen-1-yl]-, (1R,5S,6R,7R)- [ACD/Index Name]
(1R,5S,6R,7R)-6-((Z)-7-Hydroxy-hept-2-enyl)-7-((E)-3-hydroxy-oct-1-enyl)-2,4-dioxa-bicyclo[3.2.1]octan-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 551.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 187.7±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 188.70
ACD/KOC (pH 5.5): 1481.14
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.70
ACD/KOC (pH 7.4): 1481.14
Polar Surface Area: 76 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 329.1±3.0 cm3

Click to predict properties on the Chemicalize site


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